ethyl (3S)-3-[(5-ethyl-3-isoquinolin-1-yl-4H-1,2-oxazol-5-yl)carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoate

Systemtic Name: ethyl (3S)-3-[(5-ethyl-3-isoquinolin-1-yl-4H-1,2-oxazol-5-yl)carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoate Openeye Name: ethyl (3S)-3-[[5-ethyl-3-(1-isoquinolyl)-4H-isoxazole-5-carbonyl]amino]-5-fluoro-4-oxo-pentanoate CAS Name: (3S)-3-[[[5-ethyl-3-(1-isoquinolinyl)-4H-isoxazol-5-yl]-oxomethyl]amino]-5-fluoro-4-oxopentanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(5-ethyl-3-isoquinolin-1-yl-4H-1,2-oxazole-5-carbonyl)amino]-5-fluoro-4-oxopentanoate Traditional Name: (3S)-3-[[5-ethyl-3-(1-isoquinolyl)-2-isoxazoline-5-carbonyl]amino]-5-fluoro-4-keto-valeric acid ethyl ester Formula: C22H24FN3O5 MolecularWeight: 429.441463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(=O)NC(CC(=O)OCC)C(=O)CF

Isomeric SMILES

CCC1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)OCC)C(=O)CF

InChI

InChI=1S/C22H24FN3O5/c1-3-22(21(29)25-16(18(27)13-23)11-19(28)30-4-2)12-17(26-31-22)20-15-8-6-5-7-14(15)9-10-24-20/h5-10,16H,3-4,11-13H2,1-2H3,(H,25,29)/t16-,22?/m0/s1